6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one

C12H14N2O3 — CID 116872667

IUPAC6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(C3(N)COC3)cc21
InChIInChI=1S/C12H14N2O3/c1-14-9-4-8(12(13)6-16-7-12)2-3-10(9)17-5-11(14)15/h2-4H,5-7,13H2,1H3
InChIKeyMAJLJWWVUBKTRV-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.23
Rot. Bonds1

About 6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one

6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one (PubChem CID 116872667) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one
PubChem CID116872667
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(C3(N)COC3)cc21
InChIInChI=1S/C12H14N2O3/c1-14-9-4-8(12(13)6-16-7-12)2-3-10(9)17-5-11(14)15/h2-4H,5-7,13H2,1H3
InChIKeyMAJLJWWVUBKTRV-UHFFFAOYSA-N
XLogP0.23
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one with MolForge

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Related Compounds

4-methyl-6-(3-sulfanyloxetan-3-yl)-1,4-benzoxazin-3-one
CID 116872893
6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one
CID 116876298
7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82484685
6-iodo-4-methyl-1,4-benzoxazin-3-one
CID 15171871
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
6-hydroperoxy-4-methyl-1,4-benzoxazin-3-one
CID 118920596
6-(2-hydroxypropan-2-yl)-4-methyl-1,4-benzoxazin-3-one
CID 117315574
(5Z)-5-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 10334391
6-(1,2-diaminoethyl)-4-methyl-1,4-benzoxazin-3-one
CID 116855498
6-(2-amino-1-hydroxy-2-methylpropyl)-4-methyl-1,4-benzoxazin-3-one
CID 116836099
6-(1-amino-2-hydroxypropyl)-4-methyl-1,4-benzoxazin-3-one
CID 116859583
ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one (CID 116872667) is 6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)COc2ccc(C3(N)COC3)cc21.
What is the InChIKey of 6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is MAJLJWWVUBKTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-14-9-4-8(12(13)6-16-7-12)2-3-10(9)17-5-11(14)15/h2-4H,5-7,13H2,1H3.
What are the key properties of 6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one?
6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 234.25 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 116872667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).